Geometry & MOs

Info

ID:

107438

PubChem CID:

50203111

Reduced:

ClF2O4N5C33H36 (1)

Stoich.:

AB2C4D5E33F36 (1)

Weight, g/mol:

730.248202

ΔHf, kcal/mol:

-238.54

Dipole, Da:

9.94

IP(EA), eV:

 -8.77(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(4-chlorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F)C

DOS

IR

Vibrations